Geometry & MOs

Info

ID:	364394
PubChem CID:	127315571
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	5.03
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylcyclohexyl)oxyacetyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCCN(CC2)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations